#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg n LEU 3 N 0.00 0.00 0.00 6.15 4.77 -1.26 -4.00 117.00 122.66 2qbg n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qbg n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qbg n LEU 3 CO 0.00 -1.14 0.00 0.59 -1.33 0.00 0.00 177.39 175.51 2qbg n ASN 4 N -2.25 0.00 -0.22 -1.43 5.03 -1.26 -4.17 115.26 110.96 2qbg n ASN 4 Ca 0.00 0.00 0.20 0.00 0.87 0.00 0.00 54.58 55.65 2qbg n ASN 4 Cb 0.00 0.00 0.36 0.00 -1.02 0.00 0.00 39.78 39.12 2qbg n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2qbg n THR 5 N 0.00 -0.20 -2.17 3.41 -2.24 -1.26 -4.32 114.28 107.51 2qbg n THR 5 Ca 0.00 1.11 -0.43 0.00 -2.27 0.00 0.00 64.05 62.47 2qbg n THR 5 Cb 0.00 -1.82 -0.02 0.00 -2.10 0.00 0.00 70.33 66.39 2qbg n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2qbg s LEU 6 N -8.20 3.91 0.30 3.22 2.34 -1.26 -5.01 118.68 113.97 2qbg s LEU 6 Ca -0.05 1.57 0.10 0.00 0.06 0.00 0.00 54.13 55.81 2qbg s LEU 6 Cb 0.19 -3.53 -0.05 0.00 -0.56 0.00 0.00 46.19 42.24 2qbg s LEU 6 CO 0.46 -1.21 -0.07 -0.44 -1.06 0.00 0.00 176.35 174.02 2qbg s SER 7 N 3.94 4.06 1.25 1.48 0.01 -1.26 -5.11 113.70 118.07 2qbg s SER 7 Ca 0.69 -0.91 -0.17 0.00 1.31 0.00 0.00 55.95 56.87 2qbg s SER 7 Cb -0.24 -0.54 0.31 0.00 0.21 0.00 0.00 66.02 65.76 2qbg s SER 7 CO 0.28 -0.06 1.00 -2.84 0.41 0.00 0.00 173.24 172.03 2qbg s PRO 8 N -3.62 -1.62 0.00 12.44 0.02 -1.26 -5.03 135.00 135.92 2qbg s PRO 8 Ca 0.32 0.44 0.00 0.00 0.02 0.00 0.00 61.00 61.77 2qbg s PRO 8 Cb -0.04 -1.50 0.00 0.00 0.02 0.00 0.00 34.50 32.98 2qbg s PRO 8 CO 0.18 -4.09 0.00 0.00 -0.33 0.00 0.00 177.00 172.76 2qbg n ALA 9 N -5.11 0.00 -3.74 -1.55 0.00 -1.26 -4.96 120.51 103.88 2qbg n ALA 9 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.16 2qbg n ALA 9 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 2qbg n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qbg s GLU 10 N 0.00 2.07 0.00 0.00 2.56 -1.26 -4.43 118.70 117.64 2qbg s GLU 10 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 54.97 53.26 2qbg s GLU 10 Cb 0.00 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.63 2qbg s GLU 10 CO 0.00 -0.98 0.00 0.41 -0.56 0.00 0.00 175.26 174.13 2qbg n GLY 11 N 4.59 1.04 0.03 -1.50 0.00 -1.26 -4.97 105.19 103.12 2qbg n GLY 11 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 2qbg n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbg n SER 12 N 0.00 0.16 -3.59 1.61 7.64 -1.26 -4.52 113.62 113.66 2qbg n SER 12 Ca 0.00 -0.01 -0.29 0.00 1.01 0.00 0.00 58.87 59.57 2qbg n SER 12 Cb 0.00 -0.26 -0.14 0.00 -1.01 0.00 0.00 64.21 62.80 2qbg n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2qbg s LYS 13 N -2.76 0.53 -0.55 1.43 -0.14 -1.26 -5.03 119.74 111.97 2qbg s LYS 13 Ca 0.21 -1.03 -0.06 0.00 -1.36 0.00 0.00 55.97 53.73 2qbg s LYS 13 Cb 0.19 -1.53 -0.11 0.00 -1.68 0.00 0.00 37.83 34.70 2qbg s LYS 13 CO 0.52 -1.08 3.17 1.63 -0.76 0.00 0.00 175.35 178.83 2qbg n LYS 14 N 4.65 2.68 0.00 1.68 4.76 -1.26 -4.95 118.16 125.72 2qbg n LYS 14 Ca 0.01 -1.81 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 2qbg n LYS 14 Cb 0.40 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.34 2qbg n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbg n ALA 15 N 2.21 0.00 0.00 7.82 0.00 -1.26 -4.75 120.51 124.52 2qbg n ALA 15 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2qbg n ALA 15 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2qbg n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbg n GLY 16 N 0.00 4.35 3.65 0.00 0.00 -1.26 -5.14 105.19 106.79 2qbg n GLY 16 Ca 0.00 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 2qbg n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbg n LYS 17 N -1.51 -0.01 0.03 1.61 2.85 -1.26 -4.97 118.16 114.90 2qbg n LYS 17 Ca 0.00 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 2qbg n LYS 17 Cb 0.00 -2.34 0.00 0.00 -0.65 0.00 0.00 35.03 32.04 2qbg n LYS 17 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qbg n ARG 18 N -3.26 0.00 -1.58 -1.58 1.74 -1.26 -5.16 116.66 105.56 2qbg n ARG 18 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2qbg n ARG 18 Cb 0.51 -0.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 2qbg n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qbg n LEU 19 N -2.95 -1.70 -3.87 0.55 4.32 -1.26 -4.79 117.00 107.29 2qbg n LEU 19 Ca 0.00 2.87 -0.26 0.00 -0.02 0.00 0.00 56.01 58.60 2qbg n LEU 19 Cb 0.14 -3.15 0.01 0.00 -1.62 0.00 0.00 43.42 38.79 2qbg n LEU 19 CO 0.00 -0.78 -0.08 0.61 -1.22 0.00 0.00 177.39 175.92 2qbg n GLY 20 N -2.56 -0.33 0.00 -0.72 0.00 0.90 -4.87 105.19 97.62 2qbg n GLY 20 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2qbg n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbg n ARG 21 N -4.41 1.08 0.00 1.61 5.12 -1.26 -4.99 116.66 113.81 2qbg n ARG 21 Ca -0.20 -0.85 0.00 0.00 -1.93 0.00 0.00 57.85 54.87 2qbg n ARG 21 Cb 0.63 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 31.15 2qbg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbg n GLY 22 N -0.21 3.53 0.37 -0.13 0.00 -1.26 -4.81 105.19 102.69 2qbg n GLY 22 Ca 0.00 -1.83 0.01 0.00 0.00 0.00 0.00 46.02 44.20 2qbg n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbg h ILE 23 N 0.40 1.17 -0.33 -0.61 2.04 -1.96 -3.07 117.51 115.14 2qbg h ILE 23 Ca 0.00 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.50 2qbg h ILE 23 Cb 0.00 -0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 35.80 2qbg h ILE 23 CO 0.00 0.23 -0.35 1.23 0.00 0.00 0.00 178.15 179.26 2qbg h GLY 24 N 1.26 -0.37 1.02 5.37 0.00 -2.00 -0.12 103.07 108.23 2qbg h GLY 24 Ca 0.40 0.44 0.09 0.00 0.00 0.00 0.00 47.33 48.26 2qbg h GLY 24 CO -0.13 -0.21 0.40 1.48 0.00 0.00 0.00 176.54 178.09 2qbg h SER 25 N -0.31 0.00 0.00 0.19 4.64 -1.85 -3.45 113.55 112.77 2qbg h SER 25 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2qbg h SER 25 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2qbg h SER 25 CO -0.50 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.07 2qbg n GLY 26 N -1.43 0.63 2.65 -0.77 0.00 -0.06 -4.92 105.19 101.28 2qbg n GLY 26 Ca 0.05 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2qbg n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbg n LEU 27 N 0.00 2.09 0.00 0.99 4.32 -1.26 -4.89 117.00 118.25 2qbg n LEU 27 Ca 0.00 -3.79 0.00 0.00 -0.02 0.00 0.00 56.01 52.20 2qbg n LEU 27 Cb 0.00 0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 2qbg n LEU 27 CO 0.00 1.55 0.00 0.61 -1.22 0.00 0.00 177.39 178.33 2qbg n GLY 28 N -0.28 -1.76 3.25 -0.72 0.00 -1.23 -0.07 105.19 104.38 2qbg n GLY 28 Ca 0.14 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 2qbg n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbg n LYS 29 N 0.00 0.00 -3.36 1.61 2.85 -1.26 -2.48 118.16 115.52 2qbg n LYS 29 Ca 0.00 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.08 2qbg n LYS 29 Cb 0.00 -0.98 0.05 0.00 -0.65 0.00 0.00 35.03 33.45 2qbg n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qbg n THR 30 N -0.62 -8.23 -1.11 0.58 -2.24 -1.26 -4.59 114.28 96.80 2qbg n THR 30 Ca 0.13 -1.02 -0.04 0.00 -2.27 0.00 0.00 64.05 60.85 2qbg n THR 30 Cb 0.34 -5.87 -0.04 0.00 -2.10 0.00 0.00 70.33 62.66 2qbg n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbg n GLY 31 N -1.46 -0.10 3.98 3.38 0.00 -1.03 -2.08 105.19 107.88 2qbg n GLY 31 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2qbg n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbg n GLY 32 N 4.74 -0.46 1.06 -0.02 0.00 -1.26 -4.88 105.19 104.37 2qbg n GLY 32 Ca 0.13 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.37 2qbg n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qbg n ARG 33 N -4.58 0.53 0.00 1.61 1.85 -0.88 -5.13 116.66 110.05 2qbg n ARG 33 Ca 0.01 -2.31 0.00 0.00 -1.00 0.00 0.00 57.85 54.56 2qbg n ARG 33 Cb 0.53 -0.60 0.00 0.00 -1.05 0.00 0.00 32.46 31.34 2qbg n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qbg n GLY 34 N -0.13 0.82 3.32 2.89 0.00 -1.26 -4.69 105.19 106.15 2qbg n GLY 34 Ca 0.10 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 2qbg n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qbg s HIS 35 N 0.00 2.85 0.01 1.61 3.76 -1.26 -4.86 115.29 117.40 2qbg s HIS 35 Ca 0.00 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 2qbg s HIS 35 Cb 0.00 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.76 2qbg s HIS 35 CO 0.00 -0.38 0.00 1.63 -0.85 0.00 0.00 174.74 175.14 2qbg n LYS 36 N 4.03 -0.06 0.00 1.40 5.02 -1.26 -5.04 118.16 122.26 2qbg n LYS 36 Ca -0.18 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2qbg n LYS 36 Cb 0.52 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 2qbg n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbg n GLY 37 N -0.09 1.04 0.15 0.72 0.00 -1.26 -4.49 105.19 101.26 2qbg n GLY 37 Ca 0.00 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 2qbg n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qbg h GLN 38 N 0.00 0.35 -0.30 1.61 4.15 -1.97 -3.15 115.11 115.81 2qbg h GLN 38 Ca 0.00 -0.38 0.09 0.00 0.77 0.00 0.00 58.65 59.13 2qbg h GLN 38 Cb 0.00 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2qbg h GLN 38 CO 0.00 1.06 0.40 0.87 -1.93 0.00 0.00 178.83 179.24 2qbg h LYS 39 N 0.20 0.00 -6.89 1.69 1.79 -1.85 -2.96 116.57 108.55 2qbg h LYS 39 Ca -0.07 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.93 2qbg h LYS 39 Cb 1.56 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 32.26 2qbg h LYS 39 CO 0.15 0.00 0.00 -1.54 -1.08 0.00 0.00 179.45 176.99 2qbg s SER 40 N -5.10 4.74 0.03 0.86 1.04 -1.19 -4.57 113.70 109.50 2qbg s SER 40 Ca -0.04 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2qbg s SER 40 Cb 0.14 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2qbg s SER 40 CO 0.48 -1.58 0.00 0.54 0.98 0.00 0.00 173.24 173.66 2qbg n ARG 41 N -2.54 -0.32 -1.50 4.02 1.74 -1.26 -4.23 116.66 112.57 2qbg n ARG 41 Ca 0.15 0.23 -0.42 0.00 -0.77 0.00 0.00 57.85 57.04 2qbg n ARG 41 Cb 0.61 -0.26 0.01 0.00 -1.02 0.00 0.00 32.46 31.80 2qbg n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qbg n SER 42 N -0.59 -0.25 -0.72 0.55 3.41 -1.26 0.93 113.62 115.69 2qbg n SER 42 Ca 0.00 0.96 -0.09 0.00 -0.26 0.00 0.00 58.87 59.48 2qbg n SER 42 Cb 0.00 -1.18 -0.04 0.00 -0.26 0.00 0.00 64.21 62.73 2qbg n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbg n GLY 43 N 1.62 0.92 3.69 5.00 0.00 -1.26 -4.93 105.19 110.22 2qbg n GLY 43 Ca 0.11 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2qbg n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbg s GLY 44 N -2.37 2.18 0.00 -0.02 0.00 0.26 -5.00 107.32 102.37 2qbg s GLY 44 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 2qbg s GLY 44 CO 0.00 0.77 0.00 0.61 0.00 0.00 0.00 173.10 174.48 2qbg n GLY 45 N 3.67 4.27 3.78 0.20 0.00 -1.12 -4.59 105.19 111.41 2qbg n GLY 45 Ca -0.08 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 2qbg n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qbg s VAL 46 N -1.75 2.30 0.71 1.61 -7.23 -1.26 -5.01 120.40 109.76 2qbg s VAL 46 Ca 0.00 0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.27 2qbg s VAL 46 Cb 0.00 -2.82 0.14 0.00 0.56 0.00 0.00 36.38 34.26 2qbg s VAL 46 CO 0.00 -0.13 0.97 -2.11 -0.31 0.00 0.00 175.10 173.52 2qbg n ARG 47 N -3.72 -0.05 -2.33 4.82 1.85 -1.26 -5.04 116.66 110.93 2qbg n ARG 47 Ca 0.07 -2.71 -0.41 0.00 -1.00 0.00 0.00 57.85 53.80 2qbg n ARG 47 Cb 0.58 -0.62 -0.03 0.00 -1.05 0.00 0.00 32.46 31.34 2qbg n ARG 47 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2qbg s ARG 48 N -5.03 4.52 0.00 2.89 0.52 -1.26 -3.19 118.95 117.40 2qbg s ARG 48 Ca 0.65 1.96 0.00 0.00 -0.52 0.00 0.00 55.73 57.82 2qbg s ARG 48 Cb -0.04 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.28 2qbg s ARG 48 CO 0.43 0.04 0.00 0.41 0.02 0.00 0.00 175.30 176.20 2qbg n GLY 49 N 1.15 2.53 3.75 -3.53 0.00 -1.26 -4.98 105.19 102.85 2qbg n GLY 49 Ca -0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2qbg n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qbg s PHE 50 N -0.50 2.78 -0.38 1.61 2.19 -1.19 -4.72 117.98 117.77 2qbg s PHE 50 Ca 0.00 0.77 0.12 0.00 0.33 0.00 0.00 56.93 58.15 2qbg s PHE 50 Cb 0.00 -4.06 0.35 0.00 -1.31 0.00 0.00 43.02 38.01 2qbg s PHE 50 CO 0.00 -3.57 0.81 -0.85 1.83 0.00 0.00 175.22 173.44 2qbg n GLU 51 N 2.30 0.99 0.00 10.12 0.28 -1.26 -4.89 120.64 128.18 2qbg n GLU 51 Ca 0.08 -3.15 0.00 0.00 -0.16 0.00 0.00 57.16 53.93 2qbg n GLU 51 Cb 0.37 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.68 2qbg n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2qbg n GLY 52 N 0.25 1.94 0.00 -1.84 0.00 -1.26 -4.06 105.19 100.23 2qbg n GLY 52 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2qbg n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbg n GLY 53 N 0.00 0.03 3.75 -0.02 0.00 -1.26 -5.15 105.19 102.54 2qbg n GLY 53 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2qbg n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qbg s GLN 54 N 0.00 2.71 -0.36 1.61 -2.07 -1.26 -4.84 119.66 115.45 2qbg s GLN 54 Ca 0.00 1.76 -0.37 0.00 -1.82 0.00 0.00 55.36 54.93 2qbg s GLN 54 Cb 0.00 -1.90 -0.13 0.00 -1.09 0.00 0.00 33.01 29.89 2qbg s GLN 54 CO 0.00 -1.40 2.12 -0.12 -1.32 0.00 0.00 175.29 174.58 2qbg n MET 55 N -2.01 0.95 -1.35 9.60 0.00 -1.26 -4.72 117.12 118.33 2qbg n MET 55 Ca 0.13 0.28 -0.36 0.00 -0.00 0.00 0.00 57.70 57.75 2qbg n MET 55 Cb 0.50 -2.28 0.08 0.00 0.00 0.00 0.00 33.22 31.52 2qbg n MET 55 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2qbg n PRO 56 N 7.72 0.46 -0.32 2.12 -0.02 -1.26 -4.48 135.00 139.22 2qbg n PRO 56 Ca 0.41 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2qbg n PRO 56 Cb 0.18 -2.08 0.32 0.00 -0.02 0.00 0.00 33.50 31.90 2qbg n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qbg h LEU 57 N -0.23 0.77 -1.93 2.45 5.85 -1.89 0.49 115.31 120.82 2qbg h LEU 57 Ca -0.47 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 2qbg h LEU 57 Cb 1.34 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2qbg h LEU 57 CO 0.46 0.37 0.05 0.00 -0.34 0.00 0.00 178.44 178.98 2qbg n TYR 58 N -4.62 0.27 0.06 1.25 0.18 -1.26 -3.02 117.16 110.03 2qbg n TYR 58 Ca 0.19 -0.48 0.00 0.00 1.88 0.00 0.00 57.90 59.50 2qbg n TYR 58 Cb 0.46 -0.27 0.00 0.00 -0.38 0.00 0.00 39.34 39.15 2qbg n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qbg n ARG 59 N 0.27 0.00 0.25 -3.48 5.12 0.16 -4.83 116.66 114.15 2qbg n ARG 59 Ca 0.05 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.06 2qbg n ARG 59 Cb 0.54 -0.12 0.65 0.00 -1.16 0.00 0.00 32.46 32.37 2qbg n ARG 59 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 2qbg h ARG 60 N 0.00 0.00 -6.15 5.56 0.11 -1.19 -3.42 114.38 109.28 2qbg h ARG 60 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 2qbg h ARG 60 Cb 0.12 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.16 2qbg h ARG 60 CO 0.00 0.08 0.00 -0.51 0.10 0.00 0.00 179.97 179.64 2qbg s LEU 61 N -8.44 4.45 1.21 0.08 1.02 -1.17 -5.07 118.68 110.76 2qbg s LEU 61 Ca -0.04 1.23 -0.17 0.00 0.02 0.00 0.00 54.13 55.17 2qbg s LEU 61 Cb 0.16 -2.96 0.25 0.00 0.02 0.00 0.00 46.19 43.65 2qbg s LEU 61 CO 0.65 0.14 0.61 -2.65 0.02 0.00 0.00 176.35 175.12 2qbg n PRO 62 N 2.45 -2.66 -3.87 1.29 -0.02 -1.26 -4.92 135.00 126.00 2qbg n PRO 62 Ca -0.07 -0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 60.34 2qbg n PRO 62 Cb 0.51 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 2qbg n PRO 62 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qbg s LYS 63 N -4.11 1.33 -0.61 -0.52 -2.85 -1.26 -5.04 119.74 106.68 2qbg s LYS 63 Ca 0.62 -1.83 -0.24 0.00 -1.00 0.00 0.00 55.97 53.52 2qbg s LYS 63 Cb -0.18 -2.73 0.05 0.00 -2.06 0.00 0.00 37.83 32.91 2qbg s LYS 63 CO 0.62 -1.03 0.99 -0.59 0.10 0.00 0.00 175.35 175.45 2qbg s PHE 64 N 0.76 2.69 0.00 1.78 -0.12 -1.26 -5.00 117.98 116.83 2qbg s PHE 64 Ca 0.13 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.80 2qbg s PHE 64 Cb -0.21 -4.23 0.00 0.00 -0.63 0.00 0.00 43.02 37.95 2qbg s PHE 64 CO -0.09 -1.55 0.00 0.41 -0.05 0.00 0.00 175.22 173.93 2qbg n GLY 65 N 5.23 2.20 0.71 1.99 0.00 -1.26 -5.08 105.19 108.98 2qbg n GLY 65 Ca -0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2qbg n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qbg n PHE 66 N 0.00 0.00 -4.12 1.61 7.35 -1.26 -5.08 117.46 115.96 2qbg n PHE 66 Ca 0.00 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.35 2qbg n PHE 66 Cb 0.00 -1.04 -0.10 0.00 0.35 0.00 0.00 39.48 38.70 2qbg n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qbg s THR 67 N 0.00 4.60 0.17 -2.13 -4.23 -1.26 -5.01 115.64 107.77 2qbg s THR 67 Ca 0.00 -0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.33 2qbg s THR 67 Cb 0.00 -3.04 0.24 0.00 1.34 0.00 0.00 72.50 71.04 2qbg s THR 67 CO 0.00 0.49 0.99 -1.54 -0.54 0.00 0.00 174.62 174.02 2qbg n SER 68 N 3.28 -0.29 -1.58 3.99 3.41 -1.26 -4.75 113.62 116.42 2qbg n SER 68 Ca -0.17 1.10 -0.20 0.00 -0.26 0.00 0.00 58.87 59.34 2qbg n SER 68 Cb 0.53 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 64.10 2qbg n SER 68 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2qbg n ARG 69 N -5.00 -1.39 0.00 4.33 0.00 -1.26 -4.54 116.66 108.81 2qbg n ARG 69 Ca 0.09 1.17 0.00 0.00 -0.00 0.00 0.00 57.85 59.11 2qbg n ARG 69 Cb 0.29 -5.53 0.00 0.00 0.00 0.00 0.00 32.46 27.23 2qbg n ARG 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2qbg n LYS 70 N -2.48 0.00 0.21 -0.14 4.81 -1.26 -4.83 118.16 114.47 2qbg n LYS 70 Ca -0.20 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.36 2qbg n LYS 70 Cb 0.65 -0.13 0.64 0.00 0.02 0.00 0.00 35.03 36.21 2qbg n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbg h ALA 71 N 0.00 1.10 0.00 3.14 0.00 -1.91 0.46 119.26 122.04 2qbg h ALA 71 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2qbg h ALA 71 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qbg h ALA 71 CO 0.00 -0.10 -0.46 0.00 0.00 0.00 0.00 179.25 178.69 2qbg h ALA 72 N 1.68 1.17 -0.52 0.00 0.00 -1.93 -2.59 119.26 117.06 2qbg h ALA 72 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 2qbg h ALA 72 Cb 0.26 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 2qbg h ALA 72 CO 0.00 0.58 0.13 0.44 0.00 0.00 0.00 179.25 180.40 2qbg n ILE 73 N -3.88 2.68 -3.95 0.00 -5.35 0.16 -4.85 119.36 104.17 2qbg n ILE 73 Ca -0.01 -1.96 -0.31 0.00 -0.27 0.00 0.00 62.75 60.20 2qbg n ILE 73 Cb 0.50 -0.32 -0.15 0.00 -1.74 0.00 0.00 39.64 37.92 2qbg n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2qbg s THR 74 N -3.01 1.68 0.67 7.28 2.01 -0.98 -0.36 115.64 122.93 2qbg s THR 74 Ca 0.49 -1.50 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 2qbg s THR 74 Cb 0.41 -2.01 0.15 0.00 0.01 0.00 0.00 72.50 71.06 2qbg s THR 74 CO 0.09 -0.24 0.92 0.00 -0.69 0.00 0.00 174.62 174.70 2qbg n ALA 75 N 4.58 -0.80 -3.47 7.40 0.00 0.65 -4.91 120.51 123.96 2qbg n ALA 75 Ca -0.08 -1.32 -0.27 0.00 0.00 0.00 0.00 53.44 51.77 2qbg n ALA 75 Cb 0.43 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 2qbg n ALA 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qbg s GLU 76 N -4.95 0.41 0.59 0.00 2.12 -1.26 -3.56 118.70 112.06 2qbg s GLU 76 Ca 0.54 -0.92 -0.16 0.00 0.36 0.00 0.00 54.97 54.79 2qbg s GLU 76 Cb -0.02 -1.14 -0.04 0.00 0.26 0.00 0.00 34.13 33.19 2qbg s GLU 76 CO 0.37 -1.13 1.06 0.42 -0.54 0.00 0.00 175.26 175.44 2qbg s ILE 77 N 1.56 3.79 0.19 -3.70 1.01 0.76 -4.93 121.20 119.87 2qbg s ILE 77 Ca 0.14 0.86 0.08 0.00 0.00 0.00 0.00 60.65 61.73 2qbg s ILE 77 Cb -0.19 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2qbg s ILE 77 CO -0.15 -0.49 -0.15 0.00 0.00 0.00 0.00 174.94 174.15 2qbg s ARG 78 N -4.04 1.30 0.65 2.79 1.70 -1.10 -3.68 118.95 116.57 2qbg s ARG 78 Ca 0.64 -1.53 0.42 0.00 -0.47 0.00 0.00 55.73 54.80 2qbg s ARG 78 Cb -0.16 -1.15 2.27 0.00 -0.57 0.00 0.00 34.95 35.34 2qbg s ARG 78 CO 0.36 0.20 2.33 -0.07 -1.08 0.00 0.00 175.30 177.04 2qbg h LEU 79 N 2.78 0.00 -1.89 -1.89 3.38 -1.61 0.98 115.31 117.06 2qbg h LEU 79 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2qbg h LEU 79 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2qbg h LEU 79 CO 0.59 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.89 2qbg h SER 80 N 0.00 0.00 -0.49 -0.43 4.64 -1.88 -3.32 113.55 112.06 2qbg h SER 80 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qbg h SER 80 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2qbg h SER 80 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 2qbg n ASP 81 N -2.95 0.00 0.00 4.97 8.00 0.34 -4.54 116.55 122.37 2qbg n ASP 81 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2qbg n ASP 81 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2qbg n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qbg n LEU 82 N 0.00 0.00 -0.12 0.64 4.32 -1.26 -4.43 117.00 116.15 2qbg n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2qbg n LEU 82 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2qbg n LEU 82 CO 0.00 0.00 0.15 0.00 -1.22 0.00 0.00 177.39 176.32 2qbg n ALA 83 N 0.00 1.75 -1.41 -1.18 0.00 -1.26 -0.62 120.51 117.80 2qbg n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbg n ALA 83 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2qbg n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbg n LYS 84 N -0.31 0.00 -0.09 0.00 2.85 -1.26 -4.87 118.16 114.48 2qbg n LYS 84 Ca 0.00 -0.43 0.00 0.00 -1.05 0.00 0.00 58.31 56.83 2qbg n LYS 84 Cb 0.02 -0.36 0.00 0.00 -0.65 0.00 0.00 35.03 34.03 2qbg n LYS 84 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2qbg n VAL 85 N 0.00 1.18 -3.16 0.58 3.14 0.21 -4.83 118.33 115.45 2qbg n VAL 85 Ca 0.00 -0.09 -0.22 0.00 -2.96 0.00 0.00 64.34 61.07 2qbg n VAL 85 Cb 0.53 -1.09 0.02 0.00 -1.06 0.00 0.00 33.84 32.24 2qbg n VAL 85 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2qbg n GLU 86 N 0.68 -2.16 0.00 1.45 4.07 -1.26 -4.68 120.64 118.74 2qbg n GLU 86 Ca 0.00 1.79 0.00 0.00 -0.06 0.00 0.00 57.16 58.89 2qbg n GLU 86 Cb 0.50 -3.88 0.00 0.00 -0.06 0.00 0.00 31.44 28.00 2qbg n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbg n GLY 87 N -0.17 -0.77 0.00 8.31 0.00 -1.26 -4.91 105.19 106.39 2qbg n GLY 87 Ca 0.02 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2qbg n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbg n GLY 88 N 0.00 0.81 2.44 -0.02 0.00 -1.26 -4.85 105.19 102.31 2qbg n GLY 88 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2qbg n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qbg n VAL 89 N 0.00 -0.91 -2.16 1.61 3.14 -1.23 -4.76 118.33 114.02 2qbg n VAL 89 Ca 0.00 0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 61.02 2qbg n VAL 89 Cb 0.00 -2.02 0.00 0.00 -1.06 0.00 0.00 33.84 30.76 2qbg n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2qbg n VAL 90 N 2.02 4.00 -1.16 1.55 0.31 -0.21 -4.81 118.33 120.03 2qbg n VAL 90 Ca 0.00 -3.90 -0.36 0.00 -0.01 0.00 0.00 64.34 60.08 2qbg n VAL 90 Cb 0.07 -2.46 0.07 0.00 -0.91 0.00 0.00 33.84 30.61 2qbg n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qbg n ASP 91 N 4.98 -1.79 -0.34 4.52 -0.08 -1.26 -0.57 116.55 122.02 2qbg n ASP 91 Ca 0.44 0.52 0.22 0.00 -1.51 0.00 0.00 54.79 54.47 2qbg n ASP 91 Cb 0.38 -1.17 0.45 0.00 2.34 0.00 0.00 41.12 43.13 2qbg n ASP 91 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2qbg h LEU 92 N -0.59 0.56 0.00 -2.67 -0.00 -1.16 -3.38 115.31 108.07 2qbg h LEU 92 Ca -0.45 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2qbg h LEU 92 Cb 1.34 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 2qbg h LEU 92 CO 0.40 -0.02 0.00 -0.46 -0.00 0.00 0.00 178.44 178.36 2qbg n ASN 93 N -4.92 0.00 0.00 0.17 6.94 -1.26 -4.74 115.26 111.45 2qbg n ASN 93 Ca 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.85 2qbg n ASN 93 Cb 0.90 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.32 2qbg n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2qbg n THR 94 N 0.00 0.00 -0.41 5.53 -1.04 -1.26 -3.73 114.28 113.37 2qbg n THR 94 Ca 0.00 0.00 0.35 0.00 -2.04 0.00 0.00 64.05 62.36 2qbg n THR 94 Cb 0.00 0.00 0.63 0.00 -1.82 0.00 0.00 70.33 69.14 2qbg n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qbg h LEU 95 N 0.00 0.27 0.73 -4.42 3.38 -1.85 1.46 115.31 114.89 2qbg h LEU 95 Ca 0.00 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2qbg h LEU 95 Cb 0.00 0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.93 2qbg h LEU 95 CO 0.00 -0.26 -0.36 0.11 0.09 0.00 0.00 178.44 178.02 2qbg h LYS 96 N 0.07 -0.96 -0.17 1.13 1.57 -1.88 -1.23 116.57 115.09 2qbg h LYS 96 Ca 0.84 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.73 2qbg h LYS 96 Cb 2.49 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 35.01 2qbg h LYS 96 CO -0.53 -0.64 0.13 0.00 -0.57 0.00 0.00 179.45 177.84 2qbg h ALA 97 N -0.73 2.11 0.00 3.86 0.00 0.12 0.89 119.26 125.51 2qbg h ALA 97 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qbg h ALA 97 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qbg h ALA 97 CO 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.19 2qbg n ALA 98 N -2.54 2.34 -3.43 0.00 0.00 0.30 -4.88 120.51 112.29 2qbg n ALA 98 Ca 0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 2qbg n ALA 98 Cb 0.26 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.57 2qbg n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbg n ASN 99 N -0.72 -6.24 -1.76 0.00 5.03 0.31 -4.94 115.26 106.93 2qbg n ASN 99 Ca 0.08 -0.69 -0.02 0.00 0.87 0.00 0.00 54.58 54.82 2qbg n ASN 99 Cb 0.04 -4.10 0.04 0.00 -1.02 0.00 0.00 39.78 34.73 2qbg n ASN 99 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qbg n ILE 100 N -3.14 0.00 0.00 2.41 3.06 -0.81 -5.03 119.36 115.85 2qbg n ILE 100 Ca -0.09 -0.42 0.00 0.00 -2.50 0.00 0.00 62.75 59.74 2qbg n ILE 100 Cb 0.59 0.65 0.00 0.00 0.54 0.00 0.00 39.64 41.41 2qbg n ILE 100 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2qbg n ILE 101 N -0.65 0.00 0.00 9.51 2.08 -1.26 -4.82 119.36 124.22 2qbg n ILE 101 Ca -0.14 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.17 2qbg n ILE 101 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.56 2qbg n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qbg n GLY 102 N -0.35 3.64 0.36 7.39 0.00 -1.26 -4.77 105.19 110.21 2qbg n GLY 102 Ca 0.00 -0.74 0.14 0.00 0.00 0.00 0.00 46.02 45.42 2qbg n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbg h ILE 103 N 0.00 0.07 0.02 -0.61 5.03 -2.00 0.50 117.51 120.51 2qbg h ILE 103 Ca 0.00 0.00 -0.30 0.00 -0.12 0.00 0.00 64.86 64.44 2qbg h ILE 103 Cb 0.00 0.43 -0.04 0.00 -3.03 0.00 0.00 36.82 34.17 2qbg h ILE 103 CO 0.00 0.00 -1.73 1.56 -0.68 0.00 0.00 178.15 177.30 2qbg h GLN 104 N 0.00 0.04 -6.30 2.37 1.08 -1.98 -3.48 115.11 106.84 2qbg h GLN 104 Ca 0.08 -0.07 -0.60 0.00 -1.45 0.00 0.00 58.65 56.62 2qbg h GLN 104 Cb 1.30 0.03 0.16 0.00 -0.05 0.00 0.00 27.48 28.92 2qbg h GLN 104 CO -0.00 0.61 -0.60 -0.89 -0.95 0.00 0.00 178.83 177.00 2qbg n ILE 105 N -3.11 1.49 0.00 2.54 2.08 0.16 -4.89 119.36 117.63 2qbg n ILE 105 Ca -0.19 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.62 2qbg n ILE 105 Cb 1.05 -0.44 0.00 0.00 -0.75 0.00 0.00 39.64 39.50 2qbg n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2qbg n GLU 106 N 0.61 2.91 -3.87 0.38 1.02 0.51 -5.01 120.64 117.19 2qbg n GLU 106 Ca 0.11 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 2qbg n GLU 106 Cb 0.44 -0.34 -0.09 0.00 -0.02 0.00 0.00 31.44 31.43 2qbg n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2qbg s PHE 107 N -0.38 0.10 -0.18 -0.32 0.08 -1.09 -5.05 117.98 111.14 2qbg s PHE 107 Ca 0.00 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.40 2qbg s PHE 107 Cb 0.00 -0.07 0.14 0.00 -0.57 0.00 0.00 43.02 42.52 2qbg s PHE 107 CO 0.00 -0.41 1.08 0.00 -0.10 0.00 0.00 175.22 175.79 2qbg s ALA 108 N -2.56 -1.97 0.38 5.36 0.00 -1.26 -0.25 121.76 121.45 2qbg s ALA 108 Ca -0.05 1.62 0.08 0.00 0.00 0.00 0.00 51.96 53.60 2qbg s ALA 108 Cb -0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2qbg s ALA 108 CO -0.04 -0.33 0.26 0.15 0.00 0.00 0.00 175.76 175.80 2qbg s LYS 109 N -1.29 2.46 -0.19 0.00 -0.14 -1.23 -2.82 119.74 116.53 2qbg s LYS 109 Ca 0.02 -1.56 -0.15 0.00 -1.36 0.00 0.00 55.97 52.92 2qbg s LYS 109 Cb -0.01 -2.26 -0.20 0.00 -1.68 0.00 0.00 37.83 33.68 2qbg s LYS 109 CO -0.01 -0.05 0.18 0.28 -0.76 0.00 0.00 175.35 174.99 2qbg n VAL 110 N -1.35 1.61 -1.46 3.17 0.31 -1.07 -0.17 118.33 119.37 2qbg n VAL 110 Ca -0.00 -0.29 0.18 0.00 -0.01 0.00 0.00 64.34 64.22 2qbg n VAL 110 Cb 0.62 -1.90 -0.09 0.00 -0.91 0.00 0.00 33.84 31.56 2qbg n VAL 110 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2qbg n ILE 111 N -4.06 -0.72 -3.40 2.52 2.08 -1.24 -2.69 119.36 111.85 2qbg n ILE 111 Ca -0.35 0.84 -0.41 0.00 0.56 0.00 0.00 62.75 63.39 2qbg n ILE 111 Cb 0.84 -1.33 -0.09 0.00 -0.75 0.00 0.00 39.64 38.30 2qbg n ILE 111 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2qbg s LEU 112 N -7.27 4.61 -0.18 1.39 0.20 -1.26 -3.43 118.68 112.73 2qbg s LEU 112 Ca 0.00 -0.41 0.12 0.00 0.69 0.00 0.00 54.13 54.52 2qbg s LEU 112 Cb 0.00 -2.31 -0.19 0.00 -0.43 0.00 0.00 46.19 43.25 2qbg s LEU 112 CO 0.00 -0.39 -0.00 0.00 -0.29 0.00 0.00 176.35 175.66 2qbg n ALA 113 N 5.38 1.57 0.00 5.97 0.00 -1.26 -4.79 120.51 127.38 2qbg n ALA 113 Ca -0.09 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.27 2qbg n ALA 113 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2qbg n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbg n GLY 114 N 2.08 1.93 3.54 0.00 0.00 -1.26 -4.84 105.19 106.64 2qbg n GLY 114 Ca -0.30 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 2qbg n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qbg s GLU 115 N -0.05 1.58 0.00 1.61 8.01 -1.26 -4.97 118.70 123.63 2qbg s GLU 115 Ca 0.00 -1.36 0.00 0.00 0.01 0.00 0.00 54.97 53.62 2qbg s GLU 115 Cb 0.00 0.45 0.00 0.00 -4.31 0.00 0.00 34.13 30.27 2qbg s GLU 115 CO 0.00 -0.65 0.00 1.55 0.01 0.00 0.00 175.26 176.17 2qbg n VAL 116 N -0.40 0.00 0.00 2.63 3.14 -1.25 -4.54 118.33 117.91 2qbg n VAL 116 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2qbg n VAL 116 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 2qbg n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2qbg n THR 117 N 0.00 0.00 -1.76 1.55 -1.04 -1.26 -4.70 114.28 107.07 2qbg n THR 117 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2qbg n THR 117 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 2qbg n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qbg s THR 118 N 0.00 2.08 -0.25 12.58 -1.32 -1.26 -4.73 115.64 122.74 2qbg s THR 118 Ca 0.00 0.06 -0.28 0.00 -1.21 0.00 0.00 61.69 60.26 2qbg s THR 118 Cb 0.00 -3.04 -0.05 0.00 -1.51 0.00 0.00 72.50 67.90 2qbg s THR 118 CO 0.00 0.01 2.21 -2.84 -2.21 0.00 0.00 174.62 171.78 2qbg s PRO 119 N 0.36 3.05 0.09 7.08 0.02 -1.09 -4.92 135.00 139.59 2qbg s PRO 119 Ca 0.69 1.93 0.07 0.00 0.02 0.00 0.00 61.00 63.71 2qbg s PRO 119 Cb -0.48 -4.38 -0.03 0.00 0.02 0.00 0.00 34.50 29.62 2qbg s PRO 119 CO 0.40 -2.20 -0.19 0.08 -0.33 0.00 0.00 177.00 174.76 2qbg s VAL 120 N 8.56 1.52 -0.28 3.83 1.01 -1.26 -4.88 120.40 128.90 2qbg s VAL 120 Ca 0.99 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2qbg s VAL 120 Cb -0.31 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 34.75 2qbg s VAL 120 CO 0.34 -0.09 -0.03 0.42 0.00 0.00 0.00 175.10 175.74 2qbg s THR 121 N -1.15 1.95 0.30 3.92 -4.23 -1.26 -2.72 115.64 112.44 2qbg s THR 121 Ca 0.04 -1.73 -0.29 0.00 -1.18 0.00 0.00 61.69 58.53 2qbg s THR 121 Cb -0.10 -2.24 -0.10 0.00 1.34 0.00 0.00 72.50 71.41 2qbg s THR 121 CO 0.03 -0.26 1.35 0.68 -0.54 0.00 0.00 174.62 175.88 2qbg s VAL 122 N 1.15 2.73 0.02 2.29 -7.23 -0.97 -1.04 120.40 117.35 2qbg s VAL 122 Ca -0.01 0.69 0.08 0.00 -1.81 0.00 0.00 61.98 60.93 2qbg s VAL 122 Cb -0.19 -3.44 -0.02 0.00 0.56 0.00 0.00 36.38 33.28 2qbg s VAL 122 CO -0.08 0.14 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.49 2qbg s ARG 123 N -1.27 1.70 -1.46 4.82 1.81 0.27 -2.12 118.95 122.70 2qbg s ARG 123 Ca 0.52 -0.96 -0.04 0.00 -1.72 0.00 0.00 55.73 53.54 2qbg s ARG 123 Cb -0.40 -1.78 0.03 0.00 -0.45 0.00 0.00 34.95 32.35 2qbg s ARG 123 CO 0.49 0.47 0.49 0.41 -0.68 0.00 0.00 175.30 176.48 2qbg n GLY 124 N 2.05 -0.27 3.49 -3.53 0.00 -1.26 -0.91 105.19 104.77 2qbg n GLY 124 Ca -0.16 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2qbg n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbg s LEU 125 N -7.04 0.93 0.39 0.99 1.43 -1.26 -4.02 118.68 110.10 2qbg s LEU 125 Ca 0.15 -1.41 0.08 0.00 -1.03 0.00 0.00 54.13 51.91 2qbg s LEU 125 Cb -0.08 1.47 -0.04 0.00 0.03 0.00 0.00 46.19 47.57 2qbg s LEU 125 CO 0.90 -1.26 0.22 -0.13 0.23 0.00 0.00 176.35 176.30 2qbg s ARG 126 N -3.20 2.34 -0.25 1.70 0.52 -1.13 -3.95 118.95 114.99 2qbg s ARG 126 Ca 0.30 -1.69 -0.26 0.00 -0.52 0.00 0.00 55.73 53.56 2qbg s ARG 126 Cb -0.00 -2.13 0.12 0.00 0.52 0.00 0.00 34.95 33.46 2qbg s ARG 126 CO 0.19 -0.07 1.02 0.54 0.02 0.00 0.00 175.30 176.99 2qbg s VAL 127 N -2.52 0.00 1.02 3.52 0.11 -1.26 -2.59 120.40 118.68 2qbg s VAL 127 Ca 0.42 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.35 2qbg s VAL 127 Cb 0.00 -1.00 0.20 0.00 -1.53 0.00 0.00 36.38 34.06 2qbg s VAL 127 CO 0.24 0.00 1.08 0.42 -3.33 0.00 0.00 175.10 173.51 2qbg s THR 128 N -0.13 2.18 -1.15 5.04 -4.23 -1.26 -4.76 115.64 111.33 2qbg s THR 128 Ca 0.02 0.06 0.29 0.00 -1.18 0.00 0.00 61.69 60.87 2qbg s THR 128 Cb -0.04 -2.20 0.34 0.00 1.34 0.00 0.00 72.50 71.94 2qbg s THR 128 CO -0.04 -0.08 1.96 2.29 -0.54 0.00 0.00 174.62 178.21 2qbg n LYS 129 N -4.47 0.15 0.03 3.99 2.85 -1.26 -1.07 118.16 118.38 2qbg n LYS 129 Ca 0.07 0.01 0.11 0.00 -1.05 0.00 0.00 58.31 57.45 2qbg n LYS 129 Cb 0.54 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.33 2qbg n LYS 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qbg n GLY 130 N 1.38 -1.16 0.07 2.58 0.00 -1.26 -4.17 105.19 102.63 2qbg n GLY 130 Ca 0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 2qbg n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbg n ALA 131 N -2.08 1.88 1.09 4.61 0.00 -1.10 -4.03 120.51 120.88 2qbg n ALA 131 Ca -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2qbg n ALA 131 Cb 0.52 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2qbg n ALA 131 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbg n ARG 132 N -2.64 0.83 0.00 0.00 1.85 -0.23 -2.27 116.66 114.20 2qbg n ARG 132 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 2qbg n ARG 132 Cb 0.98 -1.28 0.00 0.00 -1.05 0.00 0.00 32.46 31.10 2qbg n ARG 132 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbg n ALA 133 N -0.10 1.66 -0.40 2.89 0.00 -1.26 -4.33 120.51 118.98 2qbg n ALA 133 Ca 0.00 -0.06 0.33 0.00 0.00 0.00 0.00 53.44 53.71 2qbg n ALA 133 Cb 0.14 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.22 2qbg n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbg h ALA 134 N -0.73 2.71 0.23 0.00 0.00 -1.71 2.91 119.26 122.67 2qbg h ALA 134 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qbg h ALA 134 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qbg h ALA 134 CO 0.00 -1.21 -0.11 0.97 0.00 0.00 0.00 179.25 178.90 2qbg h ILE 135 N 0.17 0.80 0.00 0.00 2.10 -1.72 -1.49 117.51 117.37 2qbg h ILE 135 Ca 0.71 -0.12 -0.18 0.00 1.08 0.00 0.00 64.86 66.34 2qbg h ILE 135 Cb 2.24 0.87 -0.02 0.00 -1.09 0.00 0.00 36.82 38.82 2qbg h ILE 135 CO -0.28 0.03 -0.85 -0.33 -1.08 0.00 0.00 178.15 175.64 2qbg h GLU 136 N -0.37 0.06 -0.03 2.19 5.08 0.04 0.46 114.58 122.01 2qbg h GLU 136 Ca -0.03 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2qbg h GLU 136 Cb 0.28 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2qbg h GLU 136 CO 0.05 0.88 0.11 0.00 -1.00 0.00 0.00 179.01 179.05 2qbg h ALA 137 N 1.10 1.27 -0.48 3.43 0.00 0.51 0.70 119.26 125.78 2qbg h ALA 137 Ca -0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2qbg h ALA 137 Cb 1.49 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2qbg h ALA 137 CO 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 179.25 179.31 2qbg n ALA 138 N -2.11 3.77 -2.29 0.00 0.00 -0.58 -4.90 120.51 114.39 2qbg n ALA 138 Ca -0.02 -2.27 -0.02 0.00 0.00 0.00 0.00 53.44 51.13 2qbg n ALA 138 Cb 0.18 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2qbg n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbg n GLY 139 N -0.13 0.56 4.00 0.00 0.00 0.24 -2.67 105.19 107.19 2qbg n GLY 139 Ca 0.29 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 2qbg n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbg s GLY 140 N -2.97 1.90 0.03 -0.02 0.00 0.13 -4.21 107.32 102.19 2qbg s GLY 140 Ca 0.02 -1.89 -0.04 0.00 0.00 0.00 0.00 44.72 42.81 2qbg s GLY 140 CO 0.03 -1.66 0.07 1.25 0.00 0.00 0.00 173.10 172.78 2qbg s LYS 141 N -4.48 0.54 -0.08 2.90 2.20 -1.10 -4.23 119.74 115.49 2qbg s LYS 141 Ca 0.56 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 55.42 2qbg s LYS 141 Cb -0.06 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.44 2qbg s LYS 141 CO 0.34 -0.13 -0.08 0.42 -0.36 0.00 0.00 175.35 175.55 2qbg s ILE 142 N -2.46 3.59 0.00 5.43 1.09 -1.26 -2.29 121.20 125.30 2qbg s ILE 142 Ca -0.06 -0.51 0.00 0.00 -1.10 0.00 0.00 60.65 58.98 2qbg s ILE 142 Cb -0.02 -2.47 0.00 0.00 -1.06 0.00 0.00 42.46 38.91 2qbg s ILE 142 CO -0.04 0.58 0.09 -1.84 -0.10 0.00 0.00 174.94 173.63 2qbg n GLU 143 N 2.44 0.00 -0.44 2.79 0.00 -0.90 -4.99 120.64 119.53 2qbg n GLU 143 Ca -0.18 0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2qbg n GLU 143 Cb 0.53 -0.74 0.00 0.00 0.00 0.00 0.00 31.44 31.23 2qbg n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22